(4-bromophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: (4-bromobenzyl)-[(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H27BrN3O3S+ MolecularWeight: 481.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-16(24(2)15-17-5-7-18(22)8-6-17)21(26)23-19-9-11-20(12-10-19)29(27,28)25-13-3-4-14-25/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1